2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate
TL;DR: 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate (CAS 4414-14-6) is a chemical compound with molecular formula C8H14Cl3O5P and molecular weight 325.96445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) 2-methylpropanoate
Also Known As: Isobutyricacid2,2,2-trichloro-1- ethylester, 4-02-00-00851 (Beilstein Handbook Reference), (2,2,2-trichloro-1-dimethoxyphosphorylethyl) 2-methylpropanoate, 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate, O,O-Dimethyl 2,2,2-trichloro-1-isobutyryloxyethyl phosphonate
Technical Specifications
| Molecular Formula | C8H14Cl3O5P |
| Molecular Weight | 325.96445 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.96445 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | CC(C)C(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC |
| InChIKey | QIXACPQPEUOETP-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate
Property Insights of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate?
The CAS number of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate is 4414-14-6.
What is the molecular formula of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate?
The molecular formula of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate is C8H14Cl3O5P.
What is the molecular weight of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate?
The molecular weight of 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate is 325.96445 g/mol.
Where can I buy 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate?
You can request a quote for 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate?
Yes, CoreyChem provides custom synthesis services for 2,2,2-Trichloro-1-(dimethoxyphosphoryl)ethyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.